LaAl2InH8
Alexandria ALEXAlex-ID: agm007192397 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_532_spg2
AlH3 LaAlH6 In Al
2025-05-27 21:30:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007192397).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm007192397
data_agm007192397
_cell_length_a 4.59550
_cell_length_b 4.59968
_cell_length_c 7.09015
_cell_angle_alpha 80.32032
_cell_angle_beta 65.27274
_cell_angle_gamma 84.11705
_cell_volume 134.10405
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.76486 0.74356 0.78428 1.00000
Al2 Al 0.23514 0.25644 0.21572 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
H1 H 0.97641 0.72843 0.52114 1.00000
H2 H 0.03722 0.44384 0.81077 1.00000
H3 H 0.02359 0.27157 0.47886 1.00000
H4 H 0.49666 0.49014 0.83719 1.00000
H5 H 0.50334 0.50986 0.16281 1.00000
H6 H 0.49806 0.98159 0.68253 1.00000
H7 H 0.50194 0.01841 0.31747 1.00000
H8 H 0.96278 0.55616 0.18923 1.00000
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